tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate

C12H24N2O4S — CID 75994051

IUPACtert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate
SMILESCCS(=O)(=O)NC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H24N2O4S/c1-5-19(16,17)13-10-7-6-8-14(9-10)11(15)18-12(2,3)4/h10,13H,5-9H2,1-4H3
InChIKeyQGGZYSZZONCJRA-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.33
Rot. Bonds3

About tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate

tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate (PubChem CID 75994051) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate
PubChem CID75994051
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Nametert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate
SMILESCCS(=O)(=O)NC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H24N2O4S/c1-5-19(16,17)13-10-7-6-8-14(9-10)11(15)18-12(2,3)4/h10,13H,5-9H2,1-4H3
InChIKeyQGGZYSZZONCJRA-UHFFFAOYSA-N
XLogP1.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-[(4-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate
CID 97171780
tert-butyl (3S)-3-[(4-methoxyphenyl)methylsulfonylamino]piperidine-1-carboxylate
CID 97168234
tert-butyl (3S)-3-(dimethylsulfamoylamino)azepane-1-carboxylate
CID 97071902
tert-butyl (3R)-3-[(2-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate
CID 97171789
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-[(2-methylcyclopropyl)amino]piperidine-1-carboxylate
CID 62397126
tert-butyl (3R)-3-[(3-chlorophenyl)methylsulfonylamino]piperidine-1-carboxylate
CID 97171783
tert-butyl 3-(methylsulfanylamino)piperidine-1-carboxylate
CID 142582835
tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
CID 22357480
tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate
CID 53256453
tert-butyl 3-[(2-ethylcyclopropyl)amino]piperidine-1-carboxylate
CID 103948338
tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate
CID 126812951

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate (CID 75994051) is tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate is CCS(=O)(=O)NC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate?
The InChIKey is QGGZYSZZONCJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-5-19(16,17)13-10-7-6-8-14(9-10)11(15)18-12(2,3)4/h10,13H,5-9H2,1-4H3.
What are the key properties of tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate?
tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate has a molecular weight of 292.40 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 75994051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).